Information card for entry 1551258

Structure parameters

• Chemical name: 'bis(μ2-4-hydroxy-1-methyl-3-pyridinecarboxylato)-bis(μ2-4-hydroxy-1-methyl-3-pyridinecarboxylato)-di-copper(II) tetrahydrate'
• Formula: C14 H16 Cu N2 O8
• Calculated formula: C14 H16 Cu N2 O8
• SMILES: C1=C2C(C=CN1C)=[O][Cu]1(OC2=O)OC(=O)C2C(C=CN(C=2)C)=[O]1.O.O
• Title of publication: Relationship between solid state structure and solution stability of copper(ii)–hydroxypyridinecarboxylate complexes
• Authors of publication: May, Nóra V.; Gál, G. Tamás; Szentendrei, Zsolt; Korecz, László; May, Zoltán; Ferlin, Maria Grazia; Dean, Annalisa; Bombicz, Petra; Di Marco, Valerio B.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2019
• Journal volume: 43
• Journal issue: 27
• Pages of publication: 10699
• a: 7.9481 ± 0.0004 Å
• b: 8.7896 ± 0.0004 Å
• c: 11.4208 ± 0.0006 Å
• α: 90.722 ± 0.003°
• β: 106.939 ± 0.003°
• γ: 104.188 ± 0.003°
• Cell volume: 736.93 ± 0.07 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0701
• Residual factor for significantly intense reflections: 0.0612
• Weighted residual factors for significantly intense reflections: 0.1561
• Weighted residual factors for all reflections included in the refinement: 0.1761
• Goodness-of-fit parameter for all reflections included in the refinement: 1.166
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No